SCHEMBL4893387

SCHEMBL4893387

COc1cccc(NC(=O)Nc2cccc(OC)c2)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.87
TSHR P16473 1/20 0.87
RAB9A P51151 9/20 0.79
NPC1 O15118 7/20 0.79
ALDH1A1 P00352 4/20 0.79
MITF O75030 1/20 0.79
MAPT P10636 8/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
HTT P42858 4/20 0.74
LMNA P02545 1/20 0.74
MAPK1 P28482 1/20 0.74
STAT1 P42224 1/20 0.74
USP2 O75604 1/20 0.72
GAA P10253 1/20 0.72
ALOX15 P16050 1/20 0.72
HSD17B10 Q99714 1/20 0.72
CASP3 P42574 1/20 0.70
SENP7 Q9BQF6 1/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31040569 1.00 TP53 (0.87) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL17084260 0.98 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL14442613 0.95 TP53 (0.84) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL22103808 0.92 TP53 (0.74) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL6388689 0.91 TP53 (0.73) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL7610775 0.91 TP53 (0.73) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL25002342 0.90 MAPT (0.73) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL21750961 0.90 TSHR (0.82) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL22103791 0.90 TSHR (0.82) TP53TSHRRAB9ANPC1ALDH1A1
SCHEMBL5852120 0.90 TP53 (0.82) TP53TSHRRAB9ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
US-7169815-B2 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2007-01-30 US disclosed
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-10-30 US disclosed
US-6586628-B2 Oxidation resistance THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2003-07-01 US disclosed
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same THE FANNING CORPORATION 2002-10-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020147365-A1 3-methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 TP53 4572/4885TSHR 1399/4885RAB9A 2530/4885
US-20030204113-A1 3-Methoxybenzyl thiourea derivatives and improved lipid compositions containing same GPX4, LIPC, GPX1 TP53 4572/4885TSHR 1399/4885RAB9A 2530/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA TP53 4505/4885TSHR 240/4885RAB9A 1020/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.